(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one

C13H9N3OS — CID 135411606

IUPAC(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C/c1cccs1
InChIInChI=1S/C13H9N3OS/c17-13-12(10-5-1-2-6-11(10)15-13)16-14-8-9-4-3-7-18-9/h1-8H,(H,15,16,17)/b14-8+
InChIKeyLSUZCDDXFIBSPH-RIYZIHGNSA-N
MW255.30 g/mol
LogP2.52
Rot. Bonds2

About (3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one

(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135411606) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is (3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135411606
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C/c1cccs1
InChIInChI=1S/C13H9N3OS/c17-13-12(10-5-1-2-6-11(10)15-13)16-14-8-9-4-3-7-18-9/h1-8H,(H,15,16,17)/b14-8+
InChIKeyLSUZCDDXFIBSPH-RIYZIHGNSA-N
XLogP2.52
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one (CID 135411606) is (3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/N=C/c1cccs1.
What is the InChIKey of (3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is LSUZCDDXFIBSPH-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-13-12(10-5-1-2-6-11(10)15-13)16-14-8-9-4-3-7-18-9/h1-8H,(H,15,16,17)/b14-8+.
What are the key properties of (3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 255.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135411606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).